SCHEMBL2801129

SCHEMBL2801129

COc1ccc2c(C(=O)N(C)C)cc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.43
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRM1 P35372 2/20 0.37
LMNA P02545 1/20 0.36
UBE2M P61081 3/20 0.36
DCUN1D1 Q96GG9 3/20 0.36
MCHR1 Q99705 1/20 0.36
BMP1 P13497 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2797521 0.93 KCNH2 (0.44) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2794566 0.93 KCNH2 (0.44) KCNH2HTR1ASLC6A4LMNAUBE2M
SCHEMBL2798556 0.93 KCNH2 (0.45) KCNH2HTR1ASLC6A4LMNAUBE2M
SCHEMBL12000080 0.92 UBE2M (0.37) KCNH2OPRM1LMNAUBE2MDCUN1D1
SCHEMBL2796965 0.91 KCNH2 (0.44) KCNH2HTR1ASLC6A4LMNAUBE2M
SCHEMBL5036618 0.91 KCNH2 (0.47) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2798296 0.91 KCNH2 (0.42) KCNH2HTR1ASLC6A4LMNAUBE2M
SCHEMBL12001963 0.90 KCNH2 (0.45) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2796266 0.90 KCNH2 (0.53) KCNH2HTR1ASLC6A4OPRM1LMNA
SCHEMBL2798529 0.90 KCNH2 (0.45) KCNH2HTR1ASLC6A4MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885HTR1A 3839/4885SLC6A4 1947/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.